SeBr4

Selenium tetrabromide · Selenium(IV) bromide

Selenium tetrabromide is a crystalline inorganic compound formed by the reaction of selenium with bromine. It is primarily utilized as a reagent in organic synthesis and as a source of selenium in specialized chemical processes.

BrSe
Crystal structure of SeBr4 (trigonal, P31c (No. 159))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Selenium tetrabromide, aggregated across 2 databases.

Band Gap

2.22 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

16
2 databases, 7 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for SeBr4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P31c (No. 159)trigonal2.220.0000-2.6793.35
Cm (No. 8)Monoclinic6.28
Cm (No. 8)Monoclinic4.70
Cm (No. 8)Monoclinic3.33
Pm (No. 6)Monoclinic7.75
C2 (No. 5)Monoclinic5.60
C2 (No. 5)Monoclinic3.46
C2 (No. 5)Monoclinic4.39
P4mm (No. 99)Tetragonal4.80
P4mm (No. 99)Tetragonal3.12
Pm-3m (No. 221)Cubic4.63
P1 (No. 1)Triclinic5.76
Uses

Applications

Where Selenium tetrabromide is used.

Organic synthesisChemical researchLaboratory reagent
Reference

Frequently Asked Questions

Common questions about Selenium tetrabromide, answered from cross-validated data.

What is SeBr4?

Selenium tetrabromide is a crystalline inorganic compound formed by the reaction of selenium with bromine. It is primarily utilized as a reagent in organic synthesis and as a source of selenium in specialized chemical processes.

More questions
What is SeBr4 used for?
Selenium tetrabromide (SeBr4) is used in organic synthesis, chemical research, and laboratory reagent.
What is the band gap of SeBr4?
Selenium tetrabromide (SeBr4) has a DFT-computed band gap of 2.22 eV across 16 reported structures.
Is SeBr4 a metal, semiconductor, or insulator?
With a band gap up to 2.22 eV it is a semiconductor.
Is SeBr4 thermodynamically stable?
Yes — Selenium tetrabromide (SeBr4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SeBr4?
The lowest-energy reported polymorph of Selenium tetrabromide (SeBr4) is trigonal symmetry, space group P31c (No. 159).
What is the density of SeBr4?
The computed density of the ground-state structure of Selenium tetrabromide (SeBr4) is 3.35 g/cm³.
How many polymorphs of SeBr4 are known?
16 structures of SeBr4 are reported across 2 databases, spanning 7 distinct space groups.
What elements does SeBr4 contain?
Selenium tetrabromide (SeBr4) contains Br and Se (2 elements).
Where does the data for SeBr4 come from?
SeBr4 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

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